smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019441045 169277050 /nfs/dbraw/zinc/27/70/50/169277050.db2.gz AGPACAZDIYDNBR-NSHDSACASA-N 0 1 229.323 3.606 20 10 BHCDMN CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019441047 169286798 /nfs/dbraw/zinc/28/67/98/169286798.db2.gz AGPACAZDIYDNBR-LLVKDONJSA-N 0 1 229.323 3.606 20 10 BHCDMN CC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019882112 590031167 /nfs/dbraw/zinc/03/11/67/590031167.db2.gz DMMKFOVQVAQAIO-NEPJUHHUSA-N 0 1 243.350 3.995 20 10 BHCDMN CC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019882115 171345750 /nfs/dbraw/zinc/34/57/50/171345750.db2.gz DMMKFOVQVAQAIO-RYUDHWBXSA-N 0 1 243.350 3.995 20 10 BHCDMN CC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019882117 590031820 /nfs/dbraw/zinc/03/18/20/590031820.db2.gz DMMKFOVQVAQAIO-VXGBXAGGSA-N 0 1 243.350 3.995 20 10 BHCDMN CC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019882119 171347941 /nfs/dbraw/zinc/34/79/41/171347941.db2.gz DMMKFOVQVAQAIO-NWDGAFQWSA-N 0 1 243.350 3.995 20 10 BHCDMN CC(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019883040 590032620 /nfs/dbraw/zinc/03/26/20/590032620.db2.gz ICNSRDYQUKTZPZ-LBPRGKRZSA-N 0 1 243.350 3.852 20 10 BHCDMN CC(C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019883041 167013674 /nfs/dbraw/zinc/01/36/74/167013674.db2.gz ICNSRDYQUKTZPZ-GFCCVEGCSA-N 0 1 243.350 3.852 20 10 BHCDMN C[C@@H]([NH2+]CC1CC1)c1ccc2ccccc2c1[O-] ZINC000019884792 384553631 /nfs/dbraw/zinc/55/36/31/384553631.db2.gz LWMHGNOVEIMXBC-LLVKDONJSA-N 0 1 241.334 3.606 20 10 BHCDMN C[C@H]([NH2+]CC1CC1)c1ccc2ccccc2c1[O-] ZINC000019884794 384553777 /nfs/dbraw/zinc/55/37/77/384553777.db2.gz LWMHGNOVEIMXBC-NSHDSACASA-N 0 1 241.334 3.606 20 10 BHCDMN CCCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019906982 590042840 /nfs/dbraw/zinc/04/28/40/590042840.db2.gz WCAUQYJWPWMBQG-LBPRGKRZSA-N 0 1 243.350 3.996 20 10 BHCDMN CCCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019906983 590042904 /nfs/dbraw/zinc/04/29/04/590042904.db2.gz WCAUQYJWPWMBQG-GFCCVEGCSA-N 0 1 243.350 3.996 20 10 BHCDMN CCCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000021791714 590229496 /nfs/dbraw/zinc/22/94/96/590229496.db2.gz PRFRISLVGXKWDP-UHFFFAOYSA-N 0 1 241.762 3.716 20 10 BHCDMN CC(C)C[NH+](Cc1ccccc1[O-])CC(C)C ZINC000028221922 591694768 /nfs/dbraw/zinc/69/47/68/591694768.db2.gz QBHPWOPPBHLQNO-UHFFFAOYSA-N 0 1 235.371 3.506 20 10 BHCDMN CC(C)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000037261091 712560905 /nfs/dbraw/zinc/56/09/05/712560905.db2.gz ABMBXMMGHXZLFS-SNVBAGLBSA-N 0 1 241.762 3.570 20 10 BHCDMN CC(C)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000037261093 712560883 /nfs/dbraw/zinc/56/08/83/712560883.db2.gz ABMBXMMGHXZLFS-JTQLQIEISA-N 0 1 241.762 3.570 20 10 BHCDMN CC(C)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000038093389 712807615 /nfs/dbraw/zinc/80/76/15/712807615.db2.gz HYVKDDRRIJDJHM-UHFFFAOYSA-N 0 1 241.762 3.571 20 10 BHCDMN CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000042552110 637283733 /nfs/dbraw/zinc/28/37/33/637283733.db2.gz NTISHSHLBQHQMZ-NXEZZACHSA-N 0 1 241.762 3.570 20 10 BHCDMN CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000042552113 637284135 /nfs/dbraw/zinc/28/41/35/637284135.db2.gz NTISHSHLBQHQMZ-VHSXEESVSA-N 0 1 241.762 3.570 20 10 BHCDMN CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000042552116 637282665 /nfs/dbraw/zinc/28/26/65/637282665.db2.gz NTISHSHLBQHQMZ-ZJUUUORDSA-N 0 1 241.762 3.570 20 10 BHCDMN CC[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000042552119 637284152 /nfs/dbraw/zinc/28/41/52/637284152.db2.gz NTISHSHLBQHQMZ-UWVGGRQHSA-N 0 1 241.762 3.570 20 10 BHCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C ZINC000042584951 641556073 /nfs/dbraw/zinc/55/60/73/641556073.db2.gz DQKOKPCQJSNVKZ-LBPRGKRZSA-N 0 1 241.762 3.570 20 10 BHCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C ZINC000042584954 641556478 /nfs/dbraw/zinc/55/64/78/641556478.db2.gz DQKOKPCQJSNVKZ-GFCCVEGCSA-N 0 1 241.762 3.570 20 10 BHCDMN CCC[C@@H](CC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000050400671 643697383 /nfs/dbraw/zinc/69/73/83/643697383.db2.gz DEYKJJIKIMHCEG-GFCCVEGCSA-N 0 1 241.762 3.714 20 10 BHCDMN CCC[C@H](CC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000050400673 643698310 /nfs/dbraw/zinc/69/83/10/643698310.db2.gz DEYKJJIKIMHCEG-LBPRGKRZSA-N 0 1 241.762 3.714 20 10 BHCDMN C[C@H]([NH2+]C1CCC1)c1ccc2ccccc2c1[O-] ZINC000052207205 384725490 /nfs/dbraw/zinc/72/54/90/384725490.db2.gz QLTFISOBNFGOAD-NSHDSACASA-N 0 1 241.334 3.749 20 10 BHCDMN C[C@@H]([NH2+]C1CCC1)c1ccc2ccccc2c1[O-] ZINC000052207208 384726061 /nfs/dbraw/zinc/72/60/61/384726061.db2.gz QLTFISOBNFGOAD-LLVKDONJSA-N 0 1 241.334 3.749 20 10 BHCDMN CC[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000070976870 643088006 /nfs/dbraw/zinc/08/80/06/643088006.db2.gz WGYPFUIIGCOOCK-UHFFFAOYSA-N 0 1 233.355 3.547 20 10 BHCDMN CC[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000070976870 643088001 /nfs/dbraw/zinc/08/80/01/643088001.db2.gz WGYPFUIIGCOOCK-UHFFFAOYSA-N 0 1 233.355 3.547 20 10 BHCDMN CC(C)(C)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000083370011 631423351 /nfs/dbraw/zinc/42/33/51/631423351.db2.gz HRBCRWXOQXGTAA-UHFFFAOYSA-N 0 1 241.762 3.571 20 10 BHCDMN CCC(CC)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000083370012 168361199 /nfs/dbraw/zinc/36/11/99/168361199.db2.gz DQTFECLJUMZVQF-UHFFFAOYSA-N 0 1 241.762 3.571 20 10 BHCDMN C[C@H]([NH2+]C1CCCCC1)c1cc(F)ccc1[O-] ZINC000094616549 644720804 /nfs/dbraw/zinc/72/08/04/644720804.db2.gz MRQKTOHRQUROST-JTQLQIEISA-N 0 1 237.318 3.515 20 10 BHCDMN C[C@@H]([NH2+]C1CCCCC1)c1cc(F)ccc1[O-] ZINC000094616550 644720982 /nfs/dbraw/zinc/72/09/82/644720982.db2.gz MRQKTOHRQUROST-SNVBAGLBSA-N 0 1 237.318 3.515 20 10 BHCDMN CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617862 644721442 /nfs/dbraw/zinc/72/14/42/644721442.db2.gz MLAKPHQWBAHNGS-AXFHLTTASA-N 0 1 239.334 3.617 20 10 BHCDMN CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617864 644720598 /nfs/dbraw/zinc/72/05/98/644720598.db2.gz MLAKPHQWBAHNGS-DCAQKATOSA-N 0 1 239.334 3.617 20 10 BHCDMN C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cc(F)ccc1[O-] ZINC000094618013 631578765 /nfs/dbraw/zinc/57/87/65/631578765.db2.gz GURZERDCZYDJNQ-RYUDHWBXSA-N 0 1 249.329 3.538 20 10 BHCDMN C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cc(F)ccc1[O-] ZINC000094618014 644721327 /nfs/dbraw/zinc/72/13/27/644721327.db2.gz GURZERDCZYDJNQ-NEPJUHHUSA-N 0 1 249.329 3.538 20 10 BHCDMN C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cc(F)ccc1[O-] ZINC000094618015 644719999 /nfs/dbraw/zinc/71/99/99/644719999.db2.gz GURZERDCZYDJNQ-NWDGAFQWSA-N 0 1 249.329 3.538 20 10 BHCDMN C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cc(F)ccc1[O-] ZINC000094618016 644720621 /nfs/dbraw/zinc/72/06/21/644720621.db2.gz GURZERDCZYDJNQ-VXGBXAGGSA-N 0 1 249.329 3.538 20 10 BHCDMN CCC[C@@H](CC)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618045 644721007 /nfs/dbraw/zinc/72/10/07/644721007.db2.gz JSNHSURVPKHRBY-CMPLNLGQSA-N 0 1 239.334 3.761 20 10 BHCDMN CCC[C@H](CC)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618046 644721449 /nfs/dbraw/zinc/72/14/49/644721449.db2.gz JSNHSURVPKHRBY-JQWIXIFHSA-N 0 1 239.334 3.761 20 10 BHCDMN CCC[C@@H](CC)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618047 644720893 /nfs/dbraw/zinc/72/08/93/644720893.db2.gz JSNHSURVPKHRBY-ZYHUDNBSSA-N 0 1 239.334 3.761 20 10 BHCDMN CCC[C@H](CC)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618048 644721412 /nfs/dbraw/zinc/72/14/12/644721412.db2.gz JSNHSURVPKHRBY-PWSUYJOCSA-N 0 1 239.334 3.761 20 10 BHCDMN CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000109797475 588593490 /nfs/dbraw/zinc/59/34/90/588593490.db2.gz OUAFXQVJVGIUFK-UHFFFAOYSA-N 0 1 233.355 3.547 20 10 BHCDMN CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000109797475 588593489 /nfs/dbraw/zinc/59/34/89/588593489.db2.gz OUAFXQVJVGIUFK-UHFFFAOYSA-N 0 1 233.355 3.547 20 10 BHCDMN CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000109797475 588593488 /nfs/dbraw/zinc/59/34/88/588593488.db2.gz OUAFXQVJVGIUFK-UHFFFAOYSA-N 0 1 233.355 3.547 20 10 BHCDMN CCC[N@@H+](Cc1ccccc1O)[C@H]1C=CCCC1 ZINC000111192096 588727944 /nfs/dbraw/zinc/72/79/44/588727944.db2.gz QEMWWVOJCLSINQ-HNNXBMFYSA-N 0 1 245.366 3.713 20 10 BHCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H]1C=CCCC1 ZINC000111192098 588728014 /nfs/dbraw/zinc/72/80/14/588728014.db2.gz QEMWWVOJCLSINQ-OAHLLOKOSA-N 0 1 245.366 3.713 20 10 BHCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)(C)C ZINC000112375822 588796041 /nfs/dbraw/zinc/79/60/41/588796041.db2.gz LIFFTUBSCYRQGB-SECBINFHSA-N 0 1 241.762 3.570 20 10 BHCDMN CCC[N@@H+](CC)Cc1c([O-])ccc2ccccc21 ZINC000112465869 588799094 /nfs/dbraw/zinc/79/90/94/588799094.db2.gz BPESKRVXLGKOGS-UHFFFAOYSA-N 0 1 243.350 3.777 20 10 BHCDMN CCC[N@H+](CC)Cc1c([O-])ccc2ccccc21 ZINC000112465869 588799093 /nfs/dbraw/zinc/79/90/93/588799093.db2.gz BPESKRVXLGKOGS-UHFFFAOYSA-N 0 1 243.350 3.777 20 10 BHCDMN CC(C)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000113750622 588852913 /nfs/dbraw/zinc/85/29/13/588852913.db2.gz UGHVDHYOKXAZSA-UHFFFAOYSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000113750622 588852912 /nfs/dbraw/zinc/85/29/12/588852912.db2.gz UGHVDHYOKXAZSA-UHFFFAOYSA-N 0 1 247.382 3.793 20 10 BHCDMN CCCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000123193773 589672500 /nfs/dbraw/zinc/67/25/00/589672500.db2.gz JJITVVKCTDBUHC-UHFFFAOYSA-N 0 1 241.762 3.714 20 10 BHCDMN CC(C)(C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000123533696 589748534 /nfs/dbraw/zinc/74/85/34/589748534.db2.gz OLJCGYLQKLIURI-UHFFFAOYSA-N 0 1 241.762 3.571 20 10 BHCDMN CCC(CC)C[NH2+]Cc1c([O-])cccc1Cl ZINC000123541735 589748482 /nfs/dbraw/zinc/74/84/82/589748482.db2.gz OLXWNZMECRQHSJ-UHFFFAOYSA-N 0 1 241.762 3.571 20 10 BHCDMN Cc1cccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1O ZINC000124540121 590048720 /nfs/dbraw/zinc/04/87/20/590048720.db2.gz HVRANGNRHCIGIP-LBPRGKRZSA-N 0 1 235.371 3.567 20 10 BHCDMN Cc1cccc(C[N@H+](C)[C@H](C)C(C)(C)C)c1O ZINC000124540362 590048693 /nfs/dbraw/zinc/04/86/93/590048693.db2.gz HVRANGNRHCIGIP-GFCCVEGCSA-N 0 1 235.371 3.567 20 10 BHCDMN Cc1ccc(O)c(C[N@H+](C)C2CCCCCC2)c1 ZINC000132352254 591702882 /nfs/dbraw/zinc/70/28/82/591702882.db2.gz RGLFFFZQXPCDTH-UHFFFAOYSA-N 0 1 247.382 3.855 20 10 BHCDMN C[N@@H+](Cc1ccccc1[O-])C1CCCCCC1 ZINC000132353798 591703058 /nfs/dbraw/zinc/70/30/58/591703058.db2.gz GJOAHOVTXIHZDU-UHFFFAOYSA-N 0 1 233.355 3.547 20 10 BHCDMN C[N@H+](Cc1ccccc1[O-])C1CCCCCC1 ZINC000132353798 591703054 /nfs/dbraw/zinc/70/30/54/591703054.db2.gz GJOAHOVTXIHZDU-UHFFFAOYSA-N 0 1 233.355 3.547 20 10 BHCDMN C[N@@H+](Cc1ccccc1O)C1CCCCCC1 ZINC000132353798 591703050 /nfs/dbraw/zinc/70/30/50/591703050.db2.gz GJOAHOVTXIHZDU-UHFFFAOYSA-N 0 1 233.355 3.547 20 10 BHCDMN CCCC[N@@H+](CC)Cc1cc(Cl)ccc1[O-] ZINC000132431482 591708516 /nfs/dbraw/zinc/70/85/16/591708516.db2.gz XQRSEMNYKQDGFG-UHFFFAOYSA-N 0 1 241.762 3.668 20 10 BHCDMN CCCC[N@H+](CC)Cc1cc(Cl)ccc1[O-] ZINC000132431482 591708509 /nfs/dbraw/zinc/70/85/09/591708509.db2.gz XQRSEMNYKQDGFG-UHFFFAOYSA-N 0 1 241.762 3.668 20 10 BHCDMN CCCC[N@@H+](CC)Cc1cc(Cl)ccc1O ZINC000132431482 591708507 /nfs/dbraw/zinc/70/85/07/591708507.db2.gz XQRSEMNYKQDGFG-UHFFFAOYSA-N 0 1 241.762 3.668 20 10 BHCDMN CCCC[N@@H+](CC)Cc1c([O-])cccc1Cl ZINC000132433176 591709047 /nfs/dbraw/zinc/70/90/47/591709047.db2.gz PMHAMHQDWZDODM-UHFFFAOYSA-N 0 1 241.762 3.668 20 10 BHCDMN CCCC[N@H+](CC)Cc1c([O-])cccc1Cl ZINC000132433176 591709042 /nfs/dbraw/zinc/70/90/42/591709042.db2.gz PMHAMHQDWZDODM-UHFFFAOYSA-N 0 1 241.762 3.668 20 10 BHCDMN CCCC[N@@H+](CC)Cc1c(O)cccc1Cl ZINC000132433176 591709039 /nfs/dbraw/zinc/70/90/39/591709039.db2.gz PMHAMHQDWZDODM-UHFFFAOYSA-N 0 1 241.762 3.668 20 10 BHCDMN CC(C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132480162 591712766 /nfs/dbraw/zinc/71/27/66/591712766.db2.gz WIRBDSNVUFSLFF-UHFFFAOYSA-N 0 1 248.153 3.539 20 10 BHCDMN CCC[NH+](CCC)Cc1c([O-])cccc1Cl ZINC000132498118 712636821 /nfs/dbraw/zinc/63/68/21/712636821.db2.gz VNSROFVIZCIVQS-UHFFFAOYSA-N 0 1 241.762 3.668 20 10 BHCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000132532347 591717324 /nfs/dbraw/zinc/71/73/24/591717324.db2.gz IVGJIFNWLPJKFR-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000132532347 591717319 /nfs/dbraw/zinc/71/73/19/591717319.db2.gz IVGJIFNWLPJKFR-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC[N@H+](Cc1c([O-])cccc1Cl)CC(C)C ZINC000132534168 591717296 /nfs/dbraw/zinc/71/72/96/591717296.db2.gz NEMLVPHTPOOZER-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)CC(C)C ZINC000132534168 591717293 /nfs/dbraw/zinc/71/72/93/591717293.db2.gz NEMLVPHTPOOZER-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132573901 591721072 /nfs/dbraw/zinc/72/10/72/591721072.db2.gz HXHJYULAWWMXSP-UHFFFAOYSA-N 0 1 248.153 3.541 20 10 BHCDMN CC[C@@H](C)C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132584998 591720865 /nfs/dbraw/zinc/72/08/65/591720865.db2.gz JVRVREAIYTVMHR-SNVBAGLBSA-N 0 1 241.762 3.524 20 10 BHCDMN CC[C@@H](C)C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132584998 591720862 /nfs/dbraw/zinc/72/08/62/591720862.db2.gz JVRVREAIYTVMHR-SNVBAGLBSA-N 0 1 241.762 3.524 20 10 BHCDMN CC[C@H](C)C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132585208 591720801 /nfs/dbraw/zinc/72/08/01/591720801.db2.gz JVRVREAIYTVMHR-JTQLQIEISA-N 0 1 241.762 3.524 20 10 BHCDMN CC[C@H](C)C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132585208 591720800 /nfs/dbraw/zinc/72/08/00/591720800.db2.gz JVRVREAIYTVMHR-JTQLQIEISA-N 0 1 241.762 3.524 20 10 BHCDMN CC[C@@H](C)C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132587175 583842490 /nfs/dbraw/zinc/84/24/90/583842490.db2.gz PVVKLXVOPKPLHF-SNVBAGLBSA-N 0 1 241.762 3.524 20 10 BHCDMN CC[C@@H](C)C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132587175 583842489 /nfs/dbraw/zinc/84/24/89/583842489.db2.gz PVVKLXVOPKPLHF-SNVBAGLBSA-N 0 1 241.762 3.524 20 10 BHCDMN CC[C@H](C)C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132587368 591722312 /nfs/dbraw/zinc/72/23/12/591722312.db2.gz PVVKLXVOPKPLHF-JTQLQIEISA-N 0 1 241.762 3.524 20 10 BHCDMN CC[C@H](C)C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132587368 591722310 /nfs/dbraw/zinc/72/23/10/591722310.db2.gz PVVKLXVOPKPLHF-JTQLQIEISA-N 0 1 241.762 3.524 20 10 BHCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132616663 591724276 /nfs/dbraw/zinc/72/42/76/591724276.db2.gz NJUXTQRCKNMEEJ-SNVBAGLBSA-N 0 1 241.762 3.522 20 10 BHCDMN CC(C)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132616663 591724274 /nfs/dbraw/zinc/72/42/74/591724274.db2.gz NJUXTQRCKNMEEJ-SNVBAGLBSA-N 0 1 241.762 3.522 20 10 BHCDMN CC(C)[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132616890 591725124 /nfs/dbraw/zinc/72/51/24/591725124.db2.gz NJUXTQRCKNMEEJ-JTQLQIEISA-N 0 1 241.762 3.522 20 10 BHCDMN CC(C)[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132616890 591725121 /nfs/dbraw/zinc/72/51/21/591725121.db2.gz NJUXTQRCKNMEEJ-JTQLQIEISA-N 0 1 241.762 3.522 20 10 BHCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132619772 591724240 /nfs/dbraw/zinc/72/42/40/591724240.db2.gz XTSZSIZIECXPBT-SNVBAGLBSA-N 0 1 241.762 3.522 20 10 BHCDMN CC(C)[C@@H](C)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132619772 591724238 /nfs/dbraw/zinc/72/42/38/591724238.db2.gz XTSZSIZIECXPBT-SNVBAGLBSA-N 0 1 241.762 3.522 20 10 BHCDMN CC(C)[C@H](C)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132619977 591723895 /nfs/dbraw/zinc/72/38/95/591723895.db2.gz XTSZSIZIECXPBT-JTQLQIEISA-N 0 1 241.762 3.522 20 10 BHCDMN CC(C)[C@H](C)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132619977 591723891 /nfs/dbraw/zinc/72/38/91/591723891.db2.gz XTSZSIZIECXPBT-JTQLQIEISA-N 0 1 241.762 3.522 20 10 BHCDMN CCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132625233 591724311 /nfs/dbraw/zinc/72/43/11/591724311.db2.gz VNJUXCKFUWGHGC-SNVBAGLBSA-N 0 1 241.762 3.666 20 10 BHCDMN CCC[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132625233 591724309 /nfs/dbraw/zinc/72/43/09/591724309.db2.gz VNJUXCKFUWGHGC-SNVBAGLBSA-N 0 1 241.762 3.666 20 10 BHCDMN CCC[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132625433 591725073 /nfs/dbraw/zinc/72/50/73/591725073.db2.gz VNJUXCKFUWGHGC-JTQLQIEISA-N 0 1 241.762 3.666 20 10 BHCDMN CCC[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132625433 591725070 /nfs/dbraw/zinc/72/50/70/591725070.db2.gz VNJUXCKFUWGHGC-JTQLQIEISA-N 0 1 241.762 3.666 20 10 BHCDMN CCC[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132628377 591724232 /nfs/dbraw/zinc/72/42/32/591724232.db2.gz QQCKTZGNXASIRK-SNVBAGLBSA-N 0 1 241.762 3.666 20 10 BHCDMN CCC[C@@H](C)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132628377 591724231 /nfs/dbraw/zinc/72/42/31/591724231.db2.gz QQCKTZGNXASIRK-SNVBAGLBSA-N 0 1 241.762 3.666 20 10 BHCDMN CCC[C@H](C)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132628555 591726321 /nfs/dbraw/zinc/72/63/21/591726321.db2.gz QQCKTZGNXASIRK-JTQLQIEISA-N 0 1 241.762 3.666 20 10 BHCDMN CCC[C@H](C)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132628555 591726318 /nfs/dbraw/zinc/72/63/18/591726318.db2.gz QQCKTZGNXASIRK-JTQLQIEISA-N 0 1 241.762 3.666 20 10 BHCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])CC(C)(C)C ZINC000132697864 591731077 /nfs/dbraw/zinc/73/10/77/591731077.db2.gz CRNXYXVAIRVJSE-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])CC(C)(C)C ZINC000132697864 591731074 /nfs/dbraw/zinc/73/10/74/591731074.db2.gz CRNXYXVAIRVJSE-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN C[N@@H+](Cc1c([O-])cccc1Cl)CC(C)(C)C ZINC000132699646 591730804 /nfs/dbraw/zinc/73/08/04/591730804.db2.gz DRADOXXOYPIOIM-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN C[N@H+](Cc1c([O-])cccc1Cl)CC(C)(C)C ZINC000132699646 591730800 /nfs/dbraw/zinc/73/08/00/591730800.db2.gz DRADOXXOYPIOIM-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC(C)CC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132712380 591732484 /nfs/dbraw/zinc/73/24/84/591732484.db2.gz HNEWJOYBXGGPNT-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC(C)CC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132712380 591732483 /nfs/dbraw/zinc/73/24/83/591732483.db2.gz HNEWJOYBXGGPNT-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC(C)CC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000132712380 591732475 /nfs/dbraw/zinc/73/24/75/591732475.db2.gz HNEWJOYBXGGPNT-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC(C)CC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132713464 591731672 /nfs/dbraw/zinc/73/16/72/591731672.db2.gz FJKBEFIKBVZLSF-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC(C)CC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132713464 591731670 /nfs/dbraw/zinc/73/16/70/591731670.db2.gz FJKBEFIKBVZLSF-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC(C)CC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000132713464 591731667 /nfs/dbraw/zinc/73/16/67/591731667.db2.gz FJKBEFIKBVZLSF-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CCC(C)(C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132738244 591734439 /nfs/dbraw/zinc/73/44/39/591734439.db2.gz AXQFNSJISMLINH-UHFFFAOYSA-N 0 1 241.762 3.666 20 10 BHCDMN CCC(C)(C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132738244 591734436 /nfs/dbraw/zinc/73/44/36/591734436.db2.gz AXQFNSJISMLINH-UHFFFAOYSA-N 0 1 241.762 3.666 20 10 BHCDMN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000132819207 591739750 /nfs/dbraw/zinc/73/97/50/591739750.db2.gz IEGFCOGNBZQURG-OAHLLOKOSA-N 0 1 245.366 3.547 20 10 BHCDMN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000132819207 591739746 /nfs/dbraw/zinc/73/97/46/591739746.db2.gz IEGFCOGNBZQURG-OAHLLOKOSA-N 0 1 245.366 3.547 20 10 BHCDMN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000132819399 591740012 /nfs/dbraw/zinc/74/00/12/591740012.db2.gz IEGFCOGNBZQURG-HNNXBMFYSA-N 0 1 245.366 3.547 20 10 BHCDMN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000132819399 591740011 /nfs/dbraw/zinc/74/00/11/591740011.db2.gz IEGFCOGNBZQURG-HNNXBMFYSA-N 0 1 245.366 3.547 20 10 BHCDMN CCC(CC)C[N@@H+](CC)Cc1ccccc1[O-] ZINC000132924394 712639291 /nfs/dbraw/zinc/63/92/91/712639291.db2.gz KKHMCNFIXKSLEB-UHFFFAOYSA-N 0 1 235.371 3.650 20 10 BHCDMN CCC(CC)C[N@H+](CC)Cc1ccccc1[O-] ZINC000132924394 712639290 /nfs/dbraw/zinc/63/92/90/712639290.db2.gz KKHMCNFIXKSLEB-UHFFFAOYSA-N 0 1 235.371 3.650 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CC ZINC000133674065 591846909 /nfs/dbraw/zinc/84/69/09/591846909.db2.gz GIQPVDZVVWFSQU-ZDUSSCGKSA-N 0 1 235.371 3.793 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)CC ZINC000133674065 591846906 /nfs/dbraw/zinc/84/69/06/591846906.db2.gz GIQPVDZVVWFSQU-ZDUSSCGKSA-N 0 1 235.371 3.793 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)CC ZINC000133674065 591846900 /nfs/dbraw/zinc/84/69/00/591846900.db2.gz GIQPVDZVVWFSQU-ZDUSSCGKSA-N 0 1 235.371 3.793 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)CC ZINC000133674314 591847061 /nfs/dbraw/zinc/84/70/61/591847061.db2.gz GIQPVDZVVWFSQU-CYBMUJFWSA-N 0 1 235.371 3.793 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)CC ZINC000133674314 591847057 /nfs/dbraw/zinc/84/70/57/591847057.db2.gz GIQPVDZVVWFSQU-CYBMUJFWSA-N 0 1 235.371 3.793 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C)CC ZINC000133674314 591847054 /nfs/dbraw/zinc/84/70/54/591847054.db2.gz GIQPVDZVVWFSQU-CYBMUJFWSA-N 0 1 235.371 3.793 20 10 BHCDMN CCC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134898736 591957915 /nfs/dbraw/zinc/95/79/15/591957915.db2.gz WLANEIYDOOSNML-ZJUUUORDSA-N 0 1 241.762 3.885 20 10 BHCDMN CCC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134898759 591957722 /nfs/dbraw/zinc/95/77/22/591957722.db2.gz WLANEIYDOOSNML-UWVGGRQHSA-N 0 1 241.762 3.885 20 10 BHCDMN CCC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134898780 591957540 /nfs/dbraw/zinc/95/75/40/591957540.db2.gz WLANEIYDOOSNML-NXEZZACHSA-N 0 1 241.762 3.885 20 10 BHCDMN CCC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134898802 591957770 /nfs/dbraw/zinc/95/77/70/591957770.db2.gz WLANEIYDOOSNML-VHSXEESVSA-N 0 1 241.762 3.885 20 10 BHCDMN C[C@H]([NH2+]C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000134903211 591957898 /nfs/dbraw/zinc/95/78/98/591957898.db2.gz LZMAHKKEVASYPX-VIFPVBQESA-N 0 1 239.746 3.639 20 10 BHCDMN C[C@@H]([NH2+]C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000134903230 591958234 /nfs/dbraw/zinc/95/82/34/591958234.db2.gz LZMAHKKEVASYPX-SECBINFHSA-N 0 1 239.746 3.639 20 10 BHCDMN CCC(CC)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134903367 591958340 /nfs/dbraw/zinc/95/83/40/591958340.db2.gz SVDCXVHGCDSQKW-VIFPVBQESA-N 0 1 241.762 3.885 20 10 BHCDMN CCC(CC)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134903391 591958149 /nfs/dbraw/zinc/95/81/49/591958149.db2.gz SVDCXVHGCDSQKW-SECBINFHSA-N 0 1 241.762 3.885 20 10 BHCDMN CC(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134904471 591958400 /nfs/dbraw/zinc/95/84/00/591958400.db2.gz MGNQGQIZVSQCRO-JTQLQIEISA-N 0 1 241.762 3.742 20 10 BHCDMN CC(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134904492 591957802 /nfs/dbraw/zinc/95/78/02/591957802.db2.gz MGNQGQIZVSQCRO-SNVBAGLBSA-N 0 1 241.762 3.742 20 10 BHCDMN CCCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134907575 591957756 /nfs/dbraw/zinc/95/77/56/591957756.db2.gz WUPZNYCMALAZCL-JTQLQIEISA-N 0 1 241.762 3.886 20 10 BHCDMN CCCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134907596 591958118 /nfs/dbraw/zinc/95/81/18/591958118.db2.gz WUPZNYCMALAZCL-SNVBAGLBSA-N 0 1 241.762 3.886 20 10 BHCDMN CC[C@@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000135652680 592030339 /nfs/dbraw/zinc/03/03/39/592030339.db2.gz KBOQWYLGYYVORY-CQSZACIVSA-N 0 1 233.355 3.547 20 10 BHCDMN CC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000135652680 592030337 /nfs/dbraw/zinc/03/03/37/592030337.db2.gz KBOQWYLGYYVORY-CQSZACIVSA-N 0 1 233.355 3.547 20 10 BHCDMN CC[C@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000135652701 592029983 /nfs/dbraw/zinc/02/99/83/592029983.db2.gz KBOQWYLGYYVORY-AWEZNQCLSA-N 0 1 233.355 3.547 20 10 BHCDMN CC[C@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000135652701 592029981 /nfs/dbraw/zinc/02/99/81/592029981.db2.gz KBOQWYLGYYVORY-AWEZNQCLSA-N 0 1 233.355 3.547 20 10 BHCDMN CC(C)C(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000139052841 592354695 /nfs/dbraw/zinc/35/46/95/592354695.db2.gz OBPKKMVASHESFB-UHFFFAOYSA-N 0 1 241.762 3.570 20 10 BHCDMN [O-]c1ccccc1C[N@@H+](CC1CC1)C1CCCC1 ZINC000156382680 640443284 /nfs/dbraw/zinc/44/32/84/640443284.db2.gz WAAQCAOQCAHKQR-UHFFFAOYSA-N 0 1 245.366 3.547 20 10 BHCDMN [O-]c1ccccc1C[N@H+](CC1CC1)C1CCCC1 ZINC000156382680 640443281 /nfs/dbraw/zinc/44/32/81/640443281.db2.gz WAAQCAOQCAHKQR-UHFFFAOYSA-N 0 1 245.366 3.547 20 10 BHCDMN CCCC[N@@H+](CC)Cc1cccc(Cl)c1[O-] ZINC000162807051 634479233 /nfs/dbraw/zinc/47/92/33/634479233.db2.gz FDKTWUGYRHESJD-UHFFFAOYSA-N 0 1 241.762 3.668 20 10 BHCDMN CC(C)CC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162810256 711680499 /nfs/dbraw/zinc/68/04/99/711680499.db2.gz BMGPCFNXRYTSJU-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162810915 634500494 /nfs/dbraw/zinc/50/04/94/634500494.db2.gz MQDBMXZJPJZHHS-SNVBAGLBSA-N 0 1 241.762 3.522 20 10 BHCDMN CC(C)[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162811041 711680607 /nfs/dbraw/zinc/68/06/07/711680607.db2.gz MQDBMXZJPJZHHS-JTQLQIEISA-N 0 1 241.762 3.522 20 10 BHCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])CC(C)C ZINC000162811321 634553031 /nfs/dbraw/zinc/55/30/31/634553031.db2.gz RIJPIPIAYJOQMG-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CCC[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162812635 711680380 /nfs/dbraw/zinc/68/03/80/711680380.db2.gz IUELXUICJPIURC-SNVBAGLBSA-N 0 1 241.762 3.666 20 10 BHCDMN CCC[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162812719 634561430 /nfs/dbraw/zinc/56/14/30/634561430.db2.gz IUELXUICJPIURC-JTQLQIEISA-N 0 1 241.762 3.666 20 10 BHCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)C ZINC000162815651 634567072 /nfs/dbraw/zinc/56/70/72/634567072.db2.gz LRAGYUREHDHFPE-UHFFFAOYSA-N 0 1 241.762 3.524 20 10 BHCDMN CCC(C)(C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162818845 633039734 /nfs/dbraw/zinc/03/97/34/633039734.db2.gz PDTLIEAAMKNRJW-UHFFFAOYSA-N 0 1 241.762 3.666 20 10 BHCDMN CCC(C)(CC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000164094510 640443340 /nfs/dbraw/zinc/44/33/40/640443340.db2.gz WIQCHMHXZYIDKH-UHFFFAOYSA-N 0 1 241.762 3.714 20 10 BHCDMN CCC[N@@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000165411236 640570739 /nfs/dbraw/zinc/57/07/39/640570739.db2.gz IKRAXYMYZRLGEV-UHFFFAOYSA-N 0 1 241.762 3.666 20 10 BHCDMN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(C)(C)C ZINC000168769820 640825227 /nfs/dbraw/zinc/82/52/27/640825227.db2.gz VXYGGZJTBCFHHS-VHSXEESVSA-N 0 1 239.334 3.617 20 10 BHCDMN C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000168769914 640824505 /nfs/dbraw/zinc/82/45/05/640824505.db2.gz VXYGGZJTBCFHHS-NXEZZACHSA-N 0 1 239.334 3.617 20 10 BHCDMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccccc1O ZINC000179558561 176032809 /nfs/dbraw/zinc/03/28/09/176032809.db2.gz QWDRIHITVJZVKI-NSHDSACASA-N 0 1 247.363 3.647 20 10 BHCDMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccccc1O ZINC000179558574 177049277 /nfs/dbraw/zinc/04/92/77/177049277.db2.gz QWDRIHITVJZVKI-LLVKDONJSA-N 0 1 247.363 3.647 20 10 BHCDMN C[C@H]([NH2+]CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000185149262 643268243 /nfs/dbraw/zinc/26/82/43/643268243.db2.gz QDBKRIJPCSAVRP-VIFPVBQESA-N 0 1 241.762 3.742 20 10 BHCDMN C[C@@H]([NH2+]CC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000185149282 643268348 /nfs/dbraw/zinc/26/83/48/643268348.db2.gz QDBKRIJPCSAVRP-SECBINFHSA-N 0 1 241.762 3.742 20 10 BHCDMN C[C@H]([NH2+]CCCF)c1ccc2ccccc2c1[O-] ZINC000186125674 643449284 /nfs/dbraw/zinc/44/92/84/643449284.db2.gz HVOVJGGETJSUIX-NSHDSACASA-N 0 1 247.313 3.556 20 10 BHCDMN C[C@@H]([NH2+]CCCF)c1ccc2ccccc2c1[O-] ZINC000186125696 643450026 /nfs/dbraw/zinc/45/00/26/643450026.db2.gz HVOVJGGETJSUIX-LLVKDONJSA-N 0 1 247.313 3.556 20 10 BHCDMN CC(C)=CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000188447042 641756904 /nfs/dbraw/zinc/75/69/04/641756904.db2.gz MIUCZGSFDOHMSH-JTQLQIEISA-N 0 1 239.746 3.662 20 10 BHCDMN CC(C)=CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000188447060 641756346 /nfs/dbraw/zinc/75/63/46/641756346.db2.gz MIUCZGSFDOHMSH-SNVBAGLBSA-N 0 1 239.746 3.662 20 10 BHCDMN CCC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000189994493 641828772 /nfs/dbraw/zinc/82/87/72/641828772.db2.gz AAMVYOFELWGSND-JTQLQIEISA-N 0 1 239.334 3.618 20 10 BHCDMN CCC(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000189994508 641829899 /nfs/dbraw/zinc/82/98/99/641829899.db2.gz AAMVYOFELWGSND-SNVBAGLBSA-N 0 1 239.334 3.618 20 10 BHCDMN CC(C)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000211434454 645837739 /nfs/dbraw/zinc/83/77/39/645837739.db2.gz RARYUPKMGYVPIY-CQSZACIVSA-N 0 1 247.382 3.650 20 10 BHCDMN CC(C)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000211434454 645837737 /nfs/dbraw/zinc/83/77/37/645837737.db2.gz RARYUPKMGYVPIY-CQSZACIVSA-N 0 1 247.382 3.650 20 10 BHCDMN CC(C)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000211434515 645837824 /nfs/dbraw/zinc/83/78/24/645837824.db2.gz RARYUPKMGYVPIY-AWEZNQCLSA-N 0 1 247.382 3.650 20 10 BHCDMN CC(C)[C@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000211434515 645837820 /nfs/dbraw/zinc/83/78/20/645837820.db2.gz RARYUPKMGYVPIY-AWEZNQCLSA-N 0 1 247.382 3.650 20 10 BHCDMN CC[C@@H](C)C[N@@H+](CC)Cc1cc(C)ccc1O ZINC000211640630 591227145 /nfs/dbraw/zinc/22/71/45/591227145.db2.gz ZCIQZPSTCCWOGO-GFCCVEGCSA-N 0 1 235.371 3.569 20 10 BHCDMN CC[C@H](C)C[N@@H+](CC)Cc1cc(C)ccc1O ZINC000211640702 591227300 /nfs/dbraw/zinc/22/73/00/591227300.db2.gz ZCIQZPSTCCWOGO-LBPRGKRZSA-N 0 1 235.371 3.569 20 10 BHCDMN CCC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000213699613 591490295 /nfs/dbraw/zinc/49/02/95/591490295.db2.gz SAQIMLAYKMDHKG-CQSZACIVSA-N 0 1 233.355 3.547 20 10 BHCDMN CCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000213699613 591490293 /nfs/dbraw/zinc/49/02/93/591490293.db2.gz SAQIMLAYKMDHKG-CQSZACIVSA-N 0 1 233.355 3.547 20 10 BHCDMN CCC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000213699675 591489979 /nfs/dbraw/zinc/48/99/79/591489979.db2.gz SAQIMLAYKMDHKG-AWEZNQCLSA-N 0 1 233.355 3.547 20 10 BHCDMN CCC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000213699675 591489976 /nfs/dbraw/zinc/48/99/76/591489976.db2.gz SAQIMLAYKMDHKG-AWEZNQCLSA-N 0 1 233.355 3.547 20 10 BHCDMN CCC(CC)(CC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226609438 640778504 /nfs/dbraw/zinc/77/85/04/640778504.db2.gz OQLPPDAUHURCGU-UHFFFAOYSA-N 0 1 239.334 3.590 20 10 BHCDMN CCC(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000232902948 642220967 /nfs/dbraw/zinc/22/09/67/642220967.db2.gz YPVPXWBMCAJLBJ-UHFFFAOYSA-N 0 1 241.762 3.571 20 10 BHCDMN CCC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000232905880 635521613 /nfs/dbraw/zinc/52/16/13/635521613.db2.gz FEPQBOUYUJBQTI-UHFFFAOYSA-N 0 1 241.762 3.571 20 10 BHCDMN CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000245887715 644550176 /nfs/dbraw/zinc/55/01/76/644550176.db2.gz MLAKPHQWBAHNGS-GARJFASQSA-N 0 1 239.334 3.617 20 10 BHCDMN CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000245887718 644550112 /nfs/dbraw/zinc/55/01/12/644550112.db2.gz MLAKPHQWBAHNGS-HBNTYKKESA-N 0 1 239.334 3.617 20 10 BHCDMN CCCCC[N@@H+](CCC)Cc1ccccc1O ZINC000303686419 644838866 /nfs/dbraw/zinc/83/88/66/644838866.db2.gz KOMHWEOEYGEYMM-UHFFFAOYSA-N 0 1 235.371 3.794 20 10 BHCDMN CC[C@@H]([NH2+]CC(C)C)c1cc(Cl)ccc1[O-] ZINC000309585331 633208287 /nfs/dbraw/zinc/20/82/87/633208287.db2.gz RPQZQULCBXRTCG-GFCCVEGCSA-N 0 1 241.762 3.742 20 10 BHCDMN CC[C@H]([NH2+]CC(C)C)c1cc(Cl)ccc1[O-] ZINC000309585332 633961211 /nfs/dbraw/zinc/96/12/11/633961211.db2.gz RPQZQULCBXRTCG-LBPRGKRZSA-N 0 1 241.762 3.742 20 10 BHCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)C)c1[O-] ZINC000309628052 632591432 /nfs/dbraw/zinc/59/14/32/632591432.db2.gz QPWFXEOGGNAFKM-JTQLQIEISA-N 0 1 241.762 3.661 20 10 BHCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)C)c1[O-] ZINC000309628058 633978856 /nfs/dbraw/zinc/97/88/56/633978856.db2.gz QPWFXEOGGNAFKM-SNVBAGLBSA-N 0 1 241.762 3.661 20 10 BHCDMN CC[C@@H]([NH2+]C1CCC1)c1cc(Cl)ccc1[O-] ZINC000309842341 633826819 /nfs/dbraw/zinc/82/68/19/633826819.db2.gz DXUWQFRLOWUVOS-GFCCVEGCSA-N 0 1 239.746 3.639 20 10 BHCDMN CC[C@H]([NH2+]C1CCC1)c1cc(Cl)ccc1[O-] ZINC000309842342 633827135 /nfs/dbraw/zinc/82/71/35/633827135.db2.gz DXUWQFRLOWUVOS-LBPRGKRZSA-N 0 1 239.746 3.639 20 10 BHCDMN CCCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000310038579 632695991 /nfs/dbraw/zinc/69/59/91/632695991.db2.gz WFAXWUIIUADGBX-GFCCVEGCSA-N 0 1 241.762 3.886 20 10 BHCDMN CCCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000310038580 634065277 /nfs/dbraw/zinc/06/52/77/634065277.db2.gz WFAXWUIIUADGBX-LBPRGKRZSA-N 0 1 241.762 3.886 20 10 BHCDMN C/C=C/C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000385072073 711004252 /nfs/dbraw/zinc/00/42/52/711004252.db2.gz VUDZJKZCYNQIST-AAOUONPWSA-N 0 1 241.334 3.772 20 10 BHCDMN C/C=C\C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000385072083 711004366 /nfs/dbraw/zinc/00/43/66/711004366.db2.gz VUDZJKZCYNQIST-MVZIDQBPSA-N 0 1 241.334 3.772 20 10 BHCDMN C/C=C/C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000385072085 711004341 /nfs/dbraw/zinc/00/43/41/711004341.db2.gz VUDZJKZCYNQIST-PCAWENJQSA-N 0 1 241.334 3.772 20 10 BHCDMN C/C=C\C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000385072087 711004560 /nfs/dbraw/zinc/00/45/60/711004560.db2.gz VUDZJKZCYNQIST-VSQXVHSFSA-N 0 1 241.334 3.772 20 10 BHCDMN CC[C@H](C)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000393809178 711175612 /nfs/dbraw/zinc/17/56/12/711175612.db2.gz RFBMIWBYNSEVHX-CABZTGNLSA-N 0 1 241.762 3.885 20 10 BHCDMN CC[C@@H]([NH2+][C@@H](C)CC)c1cc(Cl)ccc1[O-] ZINC000393809179 711175995 /nfs/dbraw/zinc/17/59/95/711175995.db2.gz RFBMIWBYNSEVHX-JOYOIKCWSA-N 0 1 241.762 3.885 20 10 BHCDMN Cc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000703286802 712069477 /nfs/dbraw/zinc/06/94/77/712069477.db2.gz QSZFQQDGFPEUDU-UHFFFAOYSA-N 0 1 249.260 3.591 20 10 BHCDMN Cc1ccccc1NCc1ccc(F)c(F)c1O ZINC000703287471 712070870 /nfs/dbraw/zinc/07/08/70/712070870.db2.gz WGEFVDUCSFRZPZ-UHFFFAOYSA-N 0 1 249.260 3.591 20 10 BHCDMN C[C@H]([NH2+][C@H]1CCCC12CC2)c1cc(F)ccc1[O-] ZINC000706955447 712163418 /nfs/dbraw/zinc/16/34/18/712163418.db2.gz HFCDFFCGEPXBKG-HZMBPMFUSA-N 0 1 249.329 3.515 20 10 BHCDMN C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cc(F)ccc1[O-] ZINC000706955449 712163570 /nfs/dbraw/zinc/16/35/70/712163570.db2.gz HFCDFFCGEPXBKG-IINYFYTJSA-N 0 1 249.329 3.515 20 10 BHCDMN C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cc(F)ccc1[O-] ZINC000706955450 712163568 /nfs/dbraw/zinc/16/35/68/712163568.db2.gz HFCDFFCGEPXBKG-QMTHXVAHSA-N 0 1 249.329 3.515 20 10 BHCDMN C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cc(F)ccc1[O-] ZINC000706955451 712163503 /nfs/dbraw/zinc/16/35/03/712163503.db2.gz HFCDFFCGEPXBKG-YGRLFVJLSA-N 0 1 249.329 3.515 20 10 BHCDMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000708450747 712195080 /nfs/dbraw/zinc/19/50/80/712195080.db2.gz ZXBRFMVWXKKTNH-AWEZNQCLSA-N 0 1 247.382 3.650 20 10 BHCDMN CC(C)(C)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000708450747 712195076 /nfs/dbraw/zinc/19/50/76/712195076.db2.gz ZXBRFMVWXKKTNH-AWEZNQCLSA-N 0 1 247.382 3.650 20 10 BHCDMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000708450748 712194810 /nfs/dbraw/zinc/19/48/10/712194810.db2.gz ZXBRFMVWXKKTNH-CQSZACIVSA-N 0 1 247.382 3.650 20 10 BHCDMN CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000708450748 712194809 /nfs/dbraw/zinc/19/48/09/712194809.db2.gz ZXBRFMVWXKKTNH-CQSZACIVSA-N 0 1 247.382 3.650 20 10 BHCDMN CCC[N@@H+](CCC(C)C)Cc1ccccc1[O-] ZINC000727830805 583781777 /nfs/dbraw/zinc/78/17/77/583781777.db2.gz PDXVGHZHWODEQC-UHFFFAOYSA-N 0 1 235.371 3.650 20 10 BHCDMN CCC[N@H+](CCC(C)C)Cc1ccccc1[O-] ZINC000727830805 583781776 /nfs/dbraw/zinc/78/17/76/583781776.db2.gz PDXVGHZHWODEQC-UHFFFAOYSA-N 0 1 235.371 3.650 20 10 BHCDMN CCC[N@H+](Cc1ccccc1[O-])CC1CCCC1 ZINC000727830819 583781788 /nfs/dbraw/zinc/78/17/88/583781788.db2.gz PSYDKDSGGGJXQZ-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1CCCC1 ZINC000727830819 583781786 /nfs/dbraw/zinc/78/17/86/583781786.db2.gz PSYDKDSGGGJXQZ-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848102 584929504 /nfs/dbraw/zinc/92/95/04/584929504.db2.gz RUENKMKNSILNHW-UHFFFAOYSA-N 0 1 247.382 3.937 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848102 584929503 /nfs/dbraw/zinc/92/95/03/584929503.db2.gz RUENKMKNSILNHW-UHFFFAOYSA-N 0 1 247.382 3.937 20 10 BHCDMN C[C@H]1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1O ZINC000753534201 585029704 /nfs/dbraw/zinc/02/97/04/585029704.db2.gz FKEKSXMJWBOMQA-UONOGXRCSA-N 0 1 247.382 3.650 20 10 BHCDMN C[C@@H]1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1O ZINC000753534215 585029648 /nfs/dbraw/zinc/02/96/48/585029648.db2.gz FKEKSXMJWBOMQA-ZIAGYGMSSA-N 0 1 247.382 3.650 20 10 BHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H](C)CC ZINC000755935030 585310993 /nfs/dbraw/zinc/31/09/93/585310993.db2.gz QEWAIWQOWLGOKU-CYBMUJFWSA-N 0 1 235.371 3.650 20 10 BHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](C)CC ZINC000755935030 585310992 /nfs/dbraw/zinc/31/09/92/585310992.db2.gz QEWAIWQOWLGOKU-CYBMUJFWSA-N 0 1 235.371 3.650 20 10 BHCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](C)CC ZINC000755935058 585311046 /nfs/dbraw/zinc/31/10/46/585311046.db2.gz QEWAIWQOWLGOKU-ZDUSSCGKSA-N 0 1 235.371 3.650 20 10 BHCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)CC ZINC000755935058 585311045 /nfs/dbraw/zinc/31/10/45/585311045.db2.gz QEWAIWQOWLGOKU-ZDUSSCGKSA-N 0 1 235.371 3.650 20 10 BHCDMN CC(C)[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000756335145 585317687 /nfs/dbraw/zinc/31/76/87/585317687.db2.gz DUNYSMZIWIYJND-UHFFFAOYSA-N 0 1 247.382 3.935 20 10 BHCDMN CC(C)[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000756335145 585317686 /nfs/dbraw/zinc/31/76/86/585317686.db2.gz DUNYSMZIWIYJND-UHFFFAOYSA-N 0 1 247.382 3.935 20 10 BHCDMN Cc1ccc(O)c(C[N@H+]([C@H](C)C(C)C)C2CC2)c1 ZINC000768138822 585532980 /nfs/dbraw/zinc/53/29/80/585532980.db2.gz UWEAPVZVUHPKII-CYBMUJFWSA-N 0 1 247.382 3.710 20 10 BHCDMN Cc1ccc(O)c(C[N@H+]([C@@H](C)C(C)C)C2CC2)c1 ZINC000768138824 585532897 /nfs/dbraw/zinc/53/28/97/585532897.db2.gz UWEAPVZVUHPKII-ZDUSSCGKSA-N 0 1 247.382 3.710 20 10 BHCDMN Cc1ccc(O)c(C[N@H+](CCC(C)C)C2CC2)c1 ZINC000768256827 585534767 /nfs/dbraw/zinc/53/47/67/585534767.db2.gz FOMROPCANMVUDE-UHFFFAOYSA-N 0 1 247.382 3.711 20 10 BHCDMN CCC(CC)[N@@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000768257756 585534658 /nfs/dbraw/zinc/53/46/58/585534658.db2.gz PEZLAJIRJKRUSO-UHFFFAOYSA-N 0 1 247.382 3.854 20 10 BHCDMN C[N@@H+](Cc1ccccc1[O-])C1CCCCCCC1 ZINC000768872180 585545136 /nfs/dbraw/zinc/54/51/36/585545136.db2.gz FICGNHBJPCDGMA-UHFFFAOYSA-N 0 1 247.382 3.937 20 10 BHCDMN C[N@H+](Cc1ccccc1[O-])C1CCCCCCC1 ZINC000768872180 585545135 /nfs/dbraw/zinc/54/51/35/585545135.db2.gz FICGNHBJPCDGMA-UHFFFAOYSA-N 0 1 247.382 3.937 20 10 BHCDMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770504480 585575145 /nfs/dbraw/zinc/57/51/45/585575145.db2.gz HLYNIBLTICXKHU-HNNXBMFYSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770504480 585575144 /nfs/dbraw/zinc/57/51/44/585575144.db2.gz HLYNIBLTICXKHU-HNNXBMFYSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000770504480 585575143 /nfs/dbraw/zinc/57/51/43/585575143.db2.gz HLYNIBLTICXKHU-HNNXBMFYSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770504483 584979455 /nfs/dbraw/zinc/97/94/55/584979455.db2.gz HLYNIBLTICXKHU-OAHLLOKOSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770504483 584979454 /nfs/dbraw/zinc/97/94/54/584979454.db2.gz HLYNIBLTICXKHU-OAHLLOKOSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770504569 585575009 /nfs/dbraw/zinc/57/50/09/585575009.db2.gz JJTDGNBSPSWMIN-HNNXBMFYSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)CC[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770504570 585575207 /nfs/dbraw/zinc/57/52/07/585575207.db2.gz JJTDGNBSPSWMIN-OAHLLOKOSA-N 0 1 247.382 3.793 20 10 BHCDMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770505256 585575258 /nfs/dbraw/zinc/57/52/58/585575258.db2.gz MDSYWOGHPQXTOA-DZGCQCFKSA-N 0 1 247.382 3.793 20 10 BHCDMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770505258 585575354 /nfs/dbraw/zinc/57/53/54/585575354.db2.gz MDSYWOGHPQXTOA-HIFRSBDPSA-N 0 1 247.382 3.793 20 10 BHCDMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770505260 585575384 /nfs/dbraw/zinc/57/53/84/585575384.db2.gz MDSYWOGHPQXTOA-UKRRQHHQSA-N 0 1 247.382 3.793 20 10 BHCDMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770505262 585575111 /nfs/dbraw/zinc/57/51/11/585575111.db2.gz MDSYWOGHPQXTOA-ZFWWWQNUSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770506190 585575168 /nfs/dbraw/zinc/57/51/68/585575168.db2.gz YAFWAZWDSIUAMG-AWEZNQCLSA-N 0 1 247.382 3.650 20 10 BHCDMN CC(C)C[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770506191 585575372 /nfs/dbraw/zinc/57/53/72/585575372.db2.gz YAFWAZWDSIUAMG-CQSZACIVSA-N 0 1 247.382 3.650 20 10 BHCDMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000770510019 585575295 /nfs/dbraw/zinc/57/52/95/585575295.db2.gz HJUXEASYPUKAIP-AWEZNQCLSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000770510019 585575294 /nfs/dbraw/zinc/57/52/94/585575294.db2.gz HJUXEASYPUKAIP-AWEZNQCLSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770510019 585575293 /nfs/dbraw/zinc/57/52/93/585575293.db2.gz HJUXEASYPUKAIP-AWEZNQCLSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000770510021 585575247 /nfs/dbraw/zinc/57/52/47/585575247.db2.gz HJUXEASYPUKAIP-CQSZACIVSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000770510021 585575246 /nfs/dbraw/zinc/57/52/46/585575246.db2.gz HJUXEASYPUKAIP-CQSZACIVSA-N 0 1 247.382 3.793 20 10 BHCDMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000770510021 585575245 /nfs/dbraw/zinc/57/52/45/585575245.db2.gz HJUXEASYPUKAIP-CQSZACIVSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770510489 585575411 /nfs/dbraw/zinc/57/54/11/585575411.db2.gz MIOQNDZZSPNRTF-DZGCQCFKSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770510489 585575410 /nfs/dbraw/zinc/57/54/10/585575410.db2.gz MIOQNDZZSPNRTF-DZGCQCFKSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000770510489 585575409 /nfs/dbraw/zinc/57/54/09/585575409.db2.gz MIOQNDZZSPNRTF-DZGCQCFKSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770510490 585575393 /nfs/dbraw/zinc/57/53/93/585575393.db2.gz MIOQNDZZSPNRTF-HIFRSBDPSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770510490 585575392 /nfs/dbraw/zinc/57/53/92/585575392.db2.gz MIOQNDZZSPNRTF-HIFRSBDPSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000770510490 585575391 /nfs/dbraw/zinc/57/53/91/585575391.db2.gz MIOQNDZZSPNRTF-HIFRSBDPSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770510491 585575117 /nfs/dbraw/zinc/57/51/17/585575117.db2.gz MIOQNDZZSPNRTF-UKRRQHHQSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770510491 585575116 /nfs/dbraw/zinc/57/51/16/585575116.db2.gz MIOQNDZZSPNRTF-UKRRQHHQSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000770510491 585575115 /nfs/dbraw/zinc/57/51/15/585575115.db2.gz MIOQNDZZSPNRTF-UKRRQHHQSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770510492 585575062 /nfs/dbraw/zinc/57/50/62/585575062.db2.gz MIOQNDZZSPNRTF-ZFWWWQNUSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770510492 585575061 /nfs/dbraw/zinc/57/50/61/585575061.db2.gz MIOQNDZZSPNRTF-ZFWWWQNUSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000770510492 585575060 /nfs/dbraw/zinc/57/50/60/585575060.db2.gz MIOQNDZZSPNRTF-ZFWWWQNUSA-N 0 1 247.382 3.793 20 10 BHCDMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000770510592 585575268 /nfs/dbraw/zinc/57/52/68/585575268.db2.gz OEGMFSASDRKYGA-CHWSQXEVSA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000770510592 585575267 /nfs/dbraw/zinc/57/52/67/585575267.db2.gz OEGMFSASDRKYGA-CHWSQXEVSA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccccc1O)C1CC1 ZINC000770510592 585575266 /nfs/dbraw/zinc/57/52/66/585575266.db2.gz OEGMFSASDRKYGA-CHWSQXEVSA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000770510597 585575333 /nfs/dbraw/zinc/57/53/33/585575333.db2.gz OEGMFSASDRKYGA-OLZOCXBDSA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@@H](C)[C@H](C)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000770510597 585575332 /nfs/dbraw/zinc/57/53/32/585575332.db2.gz OEGMFSASDRKYGA-OLZOCXBDSA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccccc1O)C1CC1 ZINC000770510597 585575331 /nfs/dbraw/zinc/57/53/31/585575331.db2.gz OEGMFSASDRKYGA-OLZOCXBDSA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000770510601 585575123 /nfs/dbraw/zinc/57/51/23/585575123.db2.gz OEGMFSASDRKYGA-QWHCGFSZSA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@H](C)[C@@H](C)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000770510601 585575122 /nfs/dbraw/zinc/57/51/22/585575122.db2.gz OEGMFSASDRKYGA-QWHCGFSZSA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccccc1O)C1CC1 ZINC000770510601 585575121 /nfs/dbraw/zinc/57/51/21/585575121.db2.gz OEGMFSASDRKYGA-QWHCGFSZSA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000770510604 585575020 /nfs/dbraw/zinc/57/50/20/585575020.db2.gz OEGMFSASDRKYGA-STQMWFEESA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@H](C)[C@H](C)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000770510604 585575019 /nfs/dbraw/zinc/57/50/19/585575019.db2.gz OEGMFSASDRKYGA-STQMWFEESA-N 0 1 247.382 3.791 20 10 BHCDMN CC[C@H](C)[C@H](C)[N@@H+](Cc1ccccc1O)C1CC1 ZINC000770510604 585575018 /nfs/dbraw/zinc/57/50/18/585575018.db2.gz OEGMFSASDRKYGA-STQMWFEESA-N 0 1 247.382 3.791 20 10 BHCDMN C[C@H]1CCC[C@H](C[N@@H+](C)Cc2ccccc2O)C1 ZINC000771445586 585003495 /nfs/dbraw/zinc/00/34/95/585003495.db2.gz AALMWUIPZJBNDB-KBPBESRZSA-N 0 1 247.382 3.650 20 10 BHCDMN C[C@@H]1CCC[C@H](C[N@@H+](C)Cc2ccccc2O)C1 ZINC000771445589 585003688 /nfs/dbraw/zinc/00/36/88/585003688.db2.gz AALMWUIPZJBNDB-KGLIPLIRSA-N 0 1 247.382 3.650 20 10 BHCDMN C[C@H]1CCC[C@@H](C[N@@H+](C)Cc2ccccc2O)C1 ZINC000771445592 585003674 /nfs/dbraw/zinc/00/36/74/585003674.db2.gz AALMWUIPZJBNDB-UONOGXRCSA-N 0 1 247.382 3.650 20 10 BHCDMN C[C@@H]1CCC[C@@H](C[N@@H+](C)Cc2ccccc2O)C1 ZINC000771445594 585003482 /nfs/dbraw/zinc/00/34/82/585003482.db2.gz AALMWUIPZJBNDB-ZIAGYGMSSA-N 0 1 247.382 3.650 20 10 BHCDMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000774622528 585662375 /nfs/dbraw/zinc/66/23/75/585662375.db2.gz XDLLBDJBOQICKO-ABAIWWIYSA-N 0 1 247.382 3.629 20 10 BHCDMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000774622531 585662279 /nfs/dbraw/zinc/66/22/79/585662279.db2.gz XDLLBDJBOQICKO-IAQYHMDHSA-N 0 1 247.382 3.629 20 10 BHCDMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000774622533 585662260 /nfs/dbraw/zinc/66/22/60/585662260.db2.gz XDLLBDJBOQICKO-NHYWBVRUSA-N 0 1 247.382 3.629 20 10 BHCDMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000774622536 585662439 /nfs/dbraw/zinc/66/24/39/585662439.db2.gz XDLLBDJBOQICKO-XHDPSFHLSA-N 0 1 247.382 3.629 20 10 BHCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1(C)CCC1 ZINC000774870671 585668115 /nfs/dbraw/zinc/66/81/15/585668115.db2.gz SLWSCYXEHRMDHP-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN CCC[N@H+](Cc1ccccc1[O-])CC1(C)CCC1 ZINC000774870671 585668114 /nfs/dbraw/zinc/66/81/14/585668114.db2.gz SLWSCYXEHRMDHP-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccccc1[O-] ZINC000775206395 585673278 /nfs/dbraw/zinc/67/32/78/585673278.db2.gz NWTSGKYFJNIVIJ-ZDUSSCGKSA-N 0 1 247.382 3.793 20 10 BHCDMN C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccccc1[O-] ZINC000775206395 585673277 /nfs/dbraw/zinc/67/32/77/585673277.db2.gz NWTSGKYFJNIVIJ-ZDUSSCGKSA-N 0 1 247.382 3.793 20 10 BHCDMN Cc1cccc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1O ZINC000775708088 585683493 /nfs/dbraw/zinc/68/34/93/585683493.db2.gz LYVSXUUQUZGSLW-GXTWGEPZSA-N 0 1 247.382 3.711 20 10 BHCDMN Cc1cccc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1O ZINC000775708089 585683328 /nfs/dbraw/zinc/68/33/28/585683328.db2.gz LYVSXUUQUZGSLW-JSGCOSHPSA-N 0 1 247.382 3.711 20 10 BHCDMN Cc1cccc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1O ZINC000775708090 585683241 /nfs/dbraw/zinc/68/32/41/585683241.db2.gz LYVSXUUQUZGSLW-OCCSQVGLSA-N 0 1 247.382 3.711 20 10 BHCDMN Cc1cccc(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1O ZINC000775708091 585683401 /nfs/dbraw/zinc/68/34/01/585683401.db2.gz LYVSXUUQUZGSLW-TZMCWYRMSA-N 0 1 247.382 3.711 20 10 BHCDMN C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccccc1[O-] ZINC000777825045 585720713 /nfs/dbraw/zinc/72/07/13/585720713.db2.gz NWTSGKYFJNIVIJ-CYBMUJFWSA-N 0 1 247.382 3.793 20 10 BHCDMN C[C@H](C1CCCCC1)[N@H+](C)Cc1ccccc1[O-] ZINC000777825045 585720712 /nfs/dbraw/zinc/72/07/12/585720712.db2.gz NWTSGKYFJNIVIJ-CYBMUJFWSA-N 0 1 247.382 3.793 20 10 BHCDMN CCC(CC)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000778994396 585743422 /nfs/dbraw/zinc/74/34/22/585743422.db2.gz DVNHNIKIDHTFDV-UHFFFAOYSA-N 0 1 233.355 3.545 20 10 BHCDMN CCC(CC)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000778994396 585743421 /nfs/dbraw/zinc/74/34/21/585743421.db2.gz DVNHNIKIDHTFDV-UHFFFAOYSA-N 0 1 233.355 3.545 20 10 BHCDMN Oc1ccccc1C[N@H+]1CCCC12CCCCC2 ZINC000779022552 585744270 /nfs/dbraw/zinc/74/42/70/585744270.db2.gz FBGIJSBEFWKLEN-UHFFFAOYSA-N 0 1 245.366 3.691 20 10 BHCDMN CC(C)(C)C1=CC[N@@H+](Cc2ccccc2O)CC1 ZINC000779034841 585744204 /nfs/dbraw/zinc/74/42/04/585744204.db2.gz VCJGNNQIMLNJJS-UHFFFAOYSA-N 0 1 245.366 3.570 20 10 BHCDMN Cc1cc(O)c(C[N@H+](C)C2(C)CCCC2)cc1C ZINC000787338008 585907294 /nfs/dbraw/zinc/90/72/94/585907294.db2.gz VNQNRFOEYJBFAH-UHFFFAOYSA-N 0 1 247.382 3.774 20 10 BHCDMN CCC[C@@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000800347069 586213115 /nfs/dbraw/zinc/21/31/15/586213115.db2.gz SMHPRNKQQJKMMM-CYBMUJFWSA-N 0 1 235.371 3.793 20 10 BHCDMN CCC[C@@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000800347069 586213114 /nfs/dbraw/zinc/21/31/14/586213114.db2.gz SMHPRNKQQJKMMM-CYBMUJFWSA-N 0 1 235.371 3.793 20 10 BHCDMN CCC[C@H](C)[N@@H+](CCC)Cc1ccccc1[O-] ZINC000800347070 586213557 /nfs/dbraw/zinc/21/35/57/586213557.db2.gz SMHPRNKQQJKMMM-ZDUSSCGKSA-N 0 1 235.371 3.793 20 10 BHCDMN CCC[C@H](C)[N@H+](CCC)Cc1ccccc1[O-] ZINC000800347070 586213555 /nfs/dbraw/zinc/21/35/55/586213555.db2.gz SMHPRNKQQJKMMM-ZDUSSCGKSA-N 0 1 235.371 3.793 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])CC(C)C ZINC000801595256 586265427 /nfs/dbraw/zinc/26/54/27/586265427.db2.gz KEGGRPJKNMJMFE-UHFFFAOYSA-N 0 1 235.371 3.650 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC(C)C ZINC000801595256 586265425 /nfs/dbraw/zinc/26/54/25/586265425.db2.gz KEGGRPJKNMJMFE-UHFFFAOYSA-N 0 1 235.371 3.650 20 10 BHCDMN CCCC[N@@H+](CCC1CC1)Cc1ccccc1[O-] ZINC000801596166 586266247 /nfs/dbraw/zinc/26/62/47/586266247.db2.gz QZTRWAMAWLJFGI-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN CCCC[N@H+](CCC1CC1)Cc1ccccc1[O-] ZINC000801596166 586266246 /nfs/dbraw/zinc/26/62/46/586266246.db2.gz QZTRWAMAWLJFGI-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000801597824 586265984 /nfs/dbraw/zinc/26/59/84/586265984.db2.gz PFZQPOZRCDWIHT-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000801597824 586265983 /nfs/dbraw/zinc/26/59/83/586265983.db2.gz PFZQPOZRCDWIHT-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC1(C)CC1 ZINC000802657444 586309166 /nfs/dbraw/zinc/30/91/66/586309166.db2.gz DSBXZCGLHUGFCX-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])CC1(C)CC1 ZINC000802657444 586309161 /nfs/dbraw/zinc/30/91/61/586309161.db2.gz DSBXZCGLHUGFCX-UHFFFAOYSA-N 0 1 247.382 3.794 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H]1C ZINC000802658003 586309242 /nfs/dbraw/zinc/30/92/42/586309242.db2.gz YWLRWUAHXJKALZ-DZGCQCFKSA-N 0 1 247.382 3.650 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H]1C ZINC000802658003 586309241 /nfs/dbraw/zinc/30/92/41/586309241.db2.gz YWLRWUAHXJKALZ-DZGCQCFKSA-N 0 1 247.382 3.650 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]1C ZINC000802658004 586309476 /nfs/dbraw/zinc/30/94/76/586309476.db2.gz YWLRWUAHXJKALZ-HIFRSBDPSA-N 0 1 247.382 3.650 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]1C ZINC000802658004 586309471 /nfs/dbraw/zinc/30/94/71/586309471.db2.gz YWLRWUAHXJKALZ-HIFRSBDPSA-N 0 1 247.382 3.650 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]1C ZINC000802658005 586309501 /nfs/dbraw/zinc/30/95/01/586309501.db2.gz YWLRWUAHXJKALZ-UKRRQHHQSA-N 0 1 247.382 3.650 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]1C ZINC000802658005 586309498 /nfs/dbraw/zinc/30/94/98/586309498.db2.gz YWLRWUAHXJKALZ-UKRRQHHQSA-N 0 1 247.382 3.650 20 10 BHCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]1C ZINC000802658006 586308949 /nfs/dbraw/zinc/30/89/49/586308949.db2.gz YWLRWUAHXJKALZ-ZFWWWQNUSA-N 0 1 247.382 3.650 20 10 BHCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@H]1C ZINC000802658006 586308947 /nfs/dbraw/zinc/30/89/47/586308947.db2.gz YWLRWUAHXJKALZ-ZFWWWQNUSA-N 0 1 247.382 3.650 20 10 BHCDMN CCC(CC)[N@@H+](CC)Cc1cccc(F)c1[O-] ZINC000809787395 586519920 /nfs/dbraw/zinc/51/99/20/586519920.db2.gz BQPSHILDLZOGNT-UHFFFAOYSA-N 0 1 239.334 3.542 20 10 BHCDMN CCC[N@@H+](CC)Cc1ccc2ccccc2c1[O-] ZINC000816477732 586734691 /nfs/dbraw/zinc/73/46/91/586734691.db2.gz IOODJLWSHPWIBE-UHFFFAOYSA-N 0 1 243.350 3.777 20 10 BHCDMN CCC[N@H+](CC)Cc1ccc2ccccc2c1[O-] ZINC000816477732 586734688 /nfs/dbraw/zinc/73/46/88/586734688.db2.gz IOODJLWSHPWIBE-UHFFFAOYSA-N 0 1 243.350 3.777 20 10 BHCDMN CCC[N@@H+](CC)Cc1ccc2ccccc2c1O ZINC000816477732 586734685 /nfs/dbraw/zinc/73/46/85/586734685.db2.gz IOODJLWSHPWIBE-UHFFFAOYSA-N 0 1 243.350 3.777 20 10 BHCDMN CCCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816480144 586735701 /nfs/dbraw/zinc/73/57/01/586735701.db2.gz DUPJDZDQOIRLBE-UHFFFAOYSA-N 0 1 243.350 3.777 20 10 BHCDMN CCCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816480144 586735700 /nfs/dbraw/zinc/73/57/00/586735700.db2.gz DUPJDZDQOIRLBE-UHFFFAOYSA-N 0 1 243.350 3.777 20 10 BHCDMN CC(C)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816484130 586736223 /nfs/dbraw/zinc/73/62/23/586736223.db2.gz QHSIWFIPYDEXDF-UHFFFAOYSA-N 0 1 243.350 3.633 20 10 BHCDMN CC(C)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816484130 586736220 /nfs/dbraw/zinc/73/62/20/586736220.db2.gz QHSIWFIPYDEXDF-UHFFFAOYSA-N 0 1 243.350 3.633 20 10 BHCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])C(C)C ZINC000816484315 586735954 /nfs/dbraw/zinc/73/59/54/586735954.db2.gz XMYRSBQGCGUSAY-UHFFFAOYSA-N 0 1 243.350 3.776 20 10 BHCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])C(C)C ZINC000816484315 586735952 /nfs/dbraw/zinc/73/59/52/586735952.db2.gz XMYRSBQGCGUSAY-UHFFFAOYSA-N 0 1 243.350 3.776 20 10 BHCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816486127 586735669 /nfs/dbraw/zinc/73/56/69/586735669.db2.gz PLWCHTADQKXMSM-UHFFFAOYSA-N 0 1 241.334 3.530 20 10 BHCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816486127 586735668 /nfs/dbraw/zinc/73/56/68/586735668.db2.gz PLWCHTADQKXMSM-UHFFFAOYSA-N 0 1 241.334 3.530 20 10 BHCDMN CC[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816487424 586736337 /nfs/dbraw/zinc/73/63/37/586736337.db2.gz MPYGJPKRGPFDSO-GFCCVEGCSA-N 0 1 243.350 3.776 20 10 BHCDMN CC[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816487424 586736336 /nfs/dbraw/zinc/73/63/36/586736336.db2.gz MPYGJPKRGPFDSO-GFCCVEGCSA-N 0 1 243.350 3.776 20 10 BHCDMN CC[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816487425 586736112 /nfs/dbraw/zinc/73/61/12/586736112.db2.gz MPYGJPKRGPFDSO-LBPRGKRZSA-N 0 1 243.350 3.776 20 10 BHCDMN CC[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816487425 586736108 /nfs/dbraw/zinc/73/61/08/586736108.db2.gz MPYGJPKRGPFDSO-LBPRGKRZSA-N 0 1 243.350 3.776 20 10 BHCDMN C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816508856 586737692 /nfs/dbraw/zinc/73/76/92/586737692.db2.gz WUVYXRZEAZMSBX-GFCCVEGCSA-N 0 1 241.334 3.530 20 10 BHCDMN C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816508856 586737689 /nfs/dbraw/zinc/73/76/89/586737689.db2.gz WUVYXRZEAZMSBX-GFCCVEGCSA-N 0 1 241.334 3.530 20 10 BHCDMN C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816508857 586737499 /nfs/dbraw/zinc/73/74/99/586737499.db2.gz WUVYXRZEAZMSBX-LBPRGKRZSA-N 0 1 241.334 3.530 20 10 BHCDMN C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816508857 586737498 /nfs/dbraw/zinc/73/74/98/586737498.db2.gz WUVYXRZEAZMSBX-LBPRGKRZSA-N 0 1 241.334 3.530 20 10 BHCDMN CCCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816528448 586739442 /nfs/dbraw/zinc/73/94/42/586739442.db2.gz CTILLCONVMFLHN-UHFFFAOYSA-N 0 1 243.350 3.825 20 10 BHCDMN [O-]c1c(C[NH2+]C2CCCC2)ccc2ccccc21 ZINC000816528545 586739517 /nfs/dbraw/zinc/73/95/17/586739517.db2.gz HTEFOTYQBUKVCI-UHFFFAOYSA-N 0 1 241.334 3.578 20 10 BHCDMN CC(C)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816528571 586739067 /nfs/dbraw/zinc/73/90/67/586739067.db2.gz IKXWBUJMLPBWNQ-UHFFFAOYSA-N 0 1 243.350 3.681 20 10 BHCDMN CC(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816539937 586739319 /nfs/dbraw/zinc/73/93/19/586739319.db2.gz ZEDCNJWHBFSWIY-UHFFFAOYSA-N 0 1 243.350 3.681 20 10 BHCDMN CC(C)=CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816590453 586742865 /nfs/dbraw/zinc/74/28/65/586742865.db2.gz AKTZXDYJEWOGQR-UHFFFAOYSA-N 0 1 241.334 3.601 20 10 BHCDMN C[C@H]1C[C@H](C)[NH+]1Cc1ccc2ccccc2c1[O-] ZINC000816594391 586742963 /nfs/dbraw/zinc/74/29/63/586742963.db2.gz BQUYVDPPTIALQT-RYUDHWBXSA-N 0 1 241.334 3.528 20 10 BHCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594392 586742581 /nfs/dbraw/zinc/74/25/81/586742581.db2.gz BQUYVDPPTIALQT-TXEJJXNPSA-N 0 1 241.334 3.528 20 10 BHCDMN C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594392 586742579 /nfs/dbraw/zinc/74/25/79/586742579.db2.gz BQUYVDPPTIALQT-TXEJJXNPSA-N 0 1 241.334 3.528 20 10 BHCDMN C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc2ccccc2c1[O-] ZINC000816594393 586743084 /nfs/dbraw/zinc/74/30/84/586743084.db2.gz BQUYVDPPTIALQT-VXGBXAGGSA-N 0 1 241.334 3.528 20 10 BHCDMN CC[C@H]1CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816617082 586744283 /nfs/dbraw/zinc/74/42/83/586744283.db2.gz ONONACHBFHVIBL-AWEZNQCLSA-N 0 1 241.334 3.530 20 10 BHCDMN CC[C@H]1CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816617082 586744281 /nfs/dbraw/zinc/74/42/81/586744281.db2.gz ONONACHBFHVIBL-AWEZNQCLSA-N 0 1 241.334 3.530 20 10 BHCDMN CC[C@H]1CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816617082 586744279 /nfs/dbraw/zinc/74/42/79/586744279.db2.gz ONONACHBFHVIBL-AWEZNQCLSA-N 0 1 241.334 3.530 20 10 BHCDMN CC[C@@H]1CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816617083 586744612 /nfs/dbraw/zinc/74/46/12/586744612.db2.gz ONONACHBFHVIBL-CQSZACIVSA-N 0 1 241.334 3.530 20 10 BHCDMN CC[C@@H]1CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816617083 586744611 /nfs/dbraw/zinc/74/46/11/586744611.db2.gz ONONACHBFHVIBL-CQSZACIVSA-N 0 1 241.334 3.530 20 10 BHCDMN CC[C@@H]1CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816617083 586744609 /nfs/dbraw/zinc/74/46/09/586744609.db2.gz ONONACHBFHVIBL-CQSZACIVSA-N 0 1 241.334 3.530 20 10 BHCDMN CC/C=C\C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824708935 587283959 /nfs/dbraw/zinc/28/39/59/587283959.db2.gz LJRGOHNHCJDSHS-UTCJRWHESA-N 0 1 241.334 3.601 20 10 BHCDMN CC/C=C/C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824708942 587283980 /nfs/dbraw/zinc/28/39/80/587283980.db2.gz LJRGOHNHCJDSHS-ZZXKWVIFSA-N 0 1 241.334 3.601 20 10 BHCDMN CCC1([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000834875514 587769165 /nfs/dbraw/zinc/76/91/65/587769165.db2.gz QDYMCWDQSVBLQO-SECBINFHSA-N 0 1 239.746 3.639 20 10 BHCDMN CCC1([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000834875515 587769187 /nfs/dbraw/zinc/76/91/87/587769187.db2.gz QDYMCWDQSVBLQO-VIFPVBQESA-N 0 1 239.746 3.639 20 10 BHCDMN CC/C=C\C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834877752 587769114 /nfs/dbraw/zinc/76/91/14/587769114.db2.gz XPIGMJUJLXHRLT-LWTINBJPSA-N 0 1 239.746 3.662 20 10 BHCDMN CC/C=C/C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834877753 587769028 /nfs/dbraw/zinc/76/90/28/587769028.db2.gz XPIGMJUJLXHRLT-ORAHPGNNSA-N 0 1 239.746 3.662 20 10 BHCDMN CC/C=C\C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834877754 587769106 /nfs/dbraw/zinc/76/91/06/587769106.db2.gz XPIGMJUJLXHRLT-UMCURTJPSA-N 0 1 239.746 3.662 20 10 BHCDMN CC/C=C/C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834877755 584915338 /nfs/dbraw/zinc/91/53/38/584915338.db2.gz XPIGMJUJLXHRLT-YEZKRMTDSA-N 0 1 239.746 3.662 20 10 BHCDMN CC(C)=CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754142 587974188 /nfs/dbraw/zinc/97/41/88/587974188.db2.gz ZWOJRDWADNSZSF-JTQLQIEISA-N 0 1 239.746 3.662 20 10 BHCDMN CC(C)=CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754143 587974377 /nfs/dbraw/zinc/97/43/77/587974377.db2.gz ZWOJRDWADNSZSF-SNVBAGLBSA-N 0 1 239.746 3.662 20 10 BHCDMN CC/C=C\C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758624 587974564 /nfs/dbraw/zinc/97/45/64/587974564.db2.gz UIYNDCDGCCZVFB-LWTINBJPSA-N 0 1 239.746 3.662 20 10 BHCDMN CC/C=C/C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758625 587974098 /nfs/dbraw/zinc/97/40/98/587974098.db2.gz UIYNDCDGCCZVFB-ORAHPGNNSA-N 0 1 239.746 3.662 20 10 BHCDMN CC/C=C\C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758626 587974395 /nfs/dbraw/zinc/97/43/95/587974395.db2.gz UIYNDCDGCCZVFB-UMCURTJPSA-N 0 1 239.746 3.662 20 10 BHCDMN CC/C=C/C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758627 587974233 /nfs/dbraw/zinc/97/42/33/587974233.db2.gz UIYNDCDGCCZVFB-YEZKRMTDSA-N 0 1 239.746 3.662 20 10 BHCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000843437348 588110394 /nfs/dbraw/zinc/11/03/94/588110394.db2.gz DBQWSITZIIWCLI-HNNXBMFYSA-N 0 1 245.366 3.547 20 10 BHCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000843437348 588110393 /nfs/dbraw/zinc/11/03/93/588110393.db2.gz DBQWSITZIIWCLI-HNNXBMFYSA-N 0 1 245.366 3.547 20 10 BHCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000843437349 588110538 /nfs/dbraw/zinc/11/05/38/588110538.db2.gz DBQWSITZIIWCLI-OAHLLOKOSA-N 0 1 245.366 3.547 20 10 BHCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000843437349 588110536 /nfs/dbraw/zinc/11/05/36/588110536.db2.gz DBQWSITZIIWCLI-OAHLLOKOSA-N 0 1 245.366 3.547 20 10 BHCDMN CCC[N@H+](Cc1ccccc1[O-])CC1CC=CC1 ZINC000851792776 588629113 /nfs/dbraw/zinc/62/91/13/588629113.db2.gz SQNXPLHQDUGIEU-UHFFFAOYSA-N 0 1 245.366 3.570 20 10 BHCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1CC=CC1 ZINC000851792776 588629112 /nfs/dbraw/zinc/62/91/12/588629112.db2.gz SQNXPLHQDUGIEU-UHFFFAOYSA-N 0 1 245.366 3.570 20 10 BHCDMN C/C=C\C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000858537953 588963553 /nfs/dbraw/zinc/96/35/53/588963553.db2.gz REYUIYFVFXOFGT-FHMRSRPSSA-N 0 1 239.746 3.662 20 10 BHCDMN C/C=C\C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000858537954 588963721 /nfs/dbraw/zinc/96/37/21/588963721.db2.gz REYUIYFVFXOFGT-KTLBGCOUSA-N 0 1 239.746 3.662 20 10 BHCDMN C/C=C/C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000858537957 588963750 /nfs/dbraw/zinc/96/37/50/588963750.db2.gz REYUIYFVFXOFGT-OGOUPESXSA-N 0 1 239.746 3.662 20 10 BHCDMN C/C=C/C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000858537958 588963856 /nfs/dbraw/zinc/96/38/56/588963856.db2.gz REYUIYFVFXOFGT-PYEVWLCESA-N 0 1 239.746 3.662 20 10 BHCDMN